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2-[2-(4-benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-2-oxo-ethyl]-benzo[de]isoquinoline-1,3-dione
SpectraBase Compound ID 9wM6F6LJ1AV
InChI InChI=1S/C26H23N3O5/c30-23(15-29-25(31)19-5-1-3-18-4-2-6-20(24(18)19)26(29)32)28-11-9-27(10-12-28)14-17-7-8-21-22(13-17)34-16-33-21/h1-8,13H,9-12,14-16H2
InChIKey KDHQMEIEMMQFNJ-UHFFFAOYSA-N
Mol Weight 457.49 g/mol
Molecular Formula C26H23N3O5
Exact Mass 457.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHrwqYu3D6p
Name 2-[2-(4-benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-2-oxo-ethyl]-benzo[de]isoquinoline-1,3-dione
Alternate Name(s) 2-[2-keto-2-(4-piperonylpiperazino)ethyl]benzo[de]isoquinoline-1,3-quinone 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]benzo[de]isoquinoline-1,3-dione 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzo[de]isoquinoline-1,3-dione 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]benzo[de]isoquinoline-1,3-dione 2-{2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
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Formula C26H23N3O5
InChI InChI=1S/C26H23N3O5/c30-23(15-29-25(31)19-5-1-3-18-4-2-6-20(24(18)19)26(29)32)28-11-9-27(10-12-28)14-17-7-8-21-22(13-17)34-16-33-21/h1-8,13H,9-12,14-16H2
InChIKey KDHQMEIEMMQFNJ-UHFFFAOYSA-N
Molecular Weight 457.486 g/mol
SMILES c1ccc2C(N(C(c3cccc1c23)=O)CC(N1CCN(CC1)Cc1cc2OCOc2cc1)=O)=O
SPLASH splash10-000i-2920000000-7891c3777b1eb9548651
Wiley ID 1453320